2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C27H26ClN3O2 — CID 4029276

IUPAC2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(CC)C(=O)c1ccccc1Cl
InChIInChI=1S/C27H26ClN3O2/c1-4-24(30(5-2)26(32)20-13-6-8-15-22(20)28)25-29-23-16-9-7-14-21(23)27(33)31(25)19-12-10-11-18(3)17-19/h6-17,24H,4-5H2,1-3H3
InChIKeyUKXVNIRQCFHSJH-UHFFFAOYSA-N
MW459.98 g/mol
LogP5.96
Rot. Bonds6

About 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 4029276) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
PubChem CID4029276
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC Name2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(CC)C(=O)c1ccccc1Cl
InChIInChI=1S/C27H26ClN3O2/c1-4-24(30(5-2)26(32)20-13-6-8-15-22(20)28)25-29-23-16-9-7-14-21(23)27(33)31(25)19-12-10-11-18(3)17-19/h6-17,24H,4-5H2,1-3H3
InChIKeyUKXVNIRQCFHSJH-UHFFFAOYSA-N
XLogP5.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657570
ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42719134
2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719145
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717191
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
4-chloro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719137
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 4029276) is 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(CC)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The InChIKey is UKXVNIRQCFHSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c1-4-24(30(5-2)26(32)20-13-6-8-15-22(20)28)25-29-23-16-9-7-14-21(23)27(33)31(25)19-12-10-11-18(3)17-19/h6-17,24H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 459.98 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 4029276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).